ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate

C14H24N2O4S — CID 53069183

IUPACethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NC(C)(C)CC)c(C)n1C
InChIInChI=1S/C14H24N2O4S/c1-7-14(4,5)15-21(18,19)12-9-11(13(17)20-8-2)16(6)10(12)3/h9,15H,7-8H2,1-6H3
InChIKeyFHITVGWHONNOSF-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.98
Rot. Bonds6

About ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate

ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate (PubChem CID 53069183) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate
PubChem CID53069183
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Nameethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NC(C)(C)CC)c(C)n1C
InChIInChI=1S/C14H24N2O4S/c1-7-14(4,5)15-21(18,19)12-9-11(13(17)20-8-2)16(6)10(12)3/h9,15H,7-8H2,1-6H3
InChIKeyFHITVGWHONNOSF-UHFFFAOYSA-N
XLogP1.98
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate (CID 53069183) is ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)NC(C)(C)CC)c(C)n1C.
What is the InChIKey of ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate?
The InChIKey is FHITVGWHONNOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-7-14(4,5)15-21(18,19)12-9-11(13(17)20-8-2)16(6)10(12)3/h9,15H,7-8H2,1-6H3.
What are the key properties of ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate?
ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate has a molecular weight of 316.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 53069183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).